[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] propanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] propanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] propanoate CAS Name: propanoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] propanoate Traditional Name: propionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H14F3NO4S MolecularWeight: 433.40037

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC(=O)OC1=C(C2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H14F3NO4S/c1-3-15(26)28-13-9-8-11-17(27)16(19(21(22,23)24)29-18(11)10(13)2)20-25-12-6-4-5-7-14(12)30-20/h4-9H,3H2,1-2H3